CAS RN: 2079895-62-6
TP-472
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251203 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2079895-62-6
- Purity/Analytical Methods: >99.0%
2079895-62-6 / 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide
Basic Information
CAS
2079895-62-6
Multi CAS
No
Molecular Formula
C20H19N3O2
Molecular Weight
333.400000
Exact Mass
333.147727
SMILES
CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=C4N=CC=CN4C(=C3)C(=O)C
InChI
InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25)
InChIKey
RPBMXJHQYJLPDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
95.86
TPSA
63.47
LogP / Solubility
WLOGP
3.4
MLOGP
3.01
XLogP3
3.6
Consensus LogP
3.34
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
TP-064
- CAS RN: 2080306-20-1
- Product Code: starshine_CAS2080306-20-1
- Purity/Analytical method: >99.0%
-
-
-
16-Desoxycucurbitacin V
- CAS RN: 2081098-85-1
- Product Code: starshine_CAS2081098-85-1
- Purity/Analytical method: >99.0%
-
Edoxaban Impurity 35
- CAS RN: 2081883-57-8
- Product Code: starshine_CAS2081883-57-8
- Purity/Analytical method: >99.0%
-
tert-butyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
- CAS RN: 2081972-05-4
- Product Code: SSC-097914
